(2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(2-cyanoanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(2-cyanoanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(2-cyanoanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(2-cyanoanilino)-4-keto-butyrate Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+]

InChI

InChI=1S/C13H16N4O3/c14-5-6-16-11(13(19)20)7-12(18)17-10-4-2-1-3-9(10)8-15/h1-4,11,16H,5-7,14H2,(H,17,18)(H,19,20)/p+1/t11-/m1/s1